Geometry & MOs

Info

ID:	146130
PubChem CID:	53640830
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	507.015554
ΔH_f, kcal/mol:	-119.79
Dipole, Da:	2.04
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-N-[[3,5-dichloro-4-(4-nitrophenoxy)phenyl]carbamoyl]benzenecarboximidate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(C)N(C(=O)C)O)C)NC2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations